{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2024:K2VHSOJQKXTO2PDI2CZVF6S2A7","short_pith_number":"pith:K2VHSOJQ","canonical_record":{"source":{"id":"2410.04542","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"q-bio.BM","submitted_at":"2024-10-06T16:34:01Z","cross_cats_sorted":["cs.LG"],"title_canon_sha256":"4d4b626160d1eebf575aa343e7978f847f7e8102afc8cd7ed01faa40867164c4","abstract_canon_sha256":"ce977897bfc3c8bdbcc0a125d928adb1c5fd1a8f2abfc791ddb4c6fec27ec56b"},"schema_version":"1.0"},"canonical_sha256":"56aa79393055e6ed3c68d0b352fa5a07fa989265cdbbcef955723a704b048e91","source":{"kind":"arxiv","id":"2410.04542","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2410.04542","created_at":"2026-07-05T10:25:11Z"},{"alias_kind":"arxiv_version","alias_value":"2410.04542v2","created_at":"2026-07-05T10:25:11Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2410.04542","created_at":"2026-07-05T10:25:11Z"},{"alias_kind":"pith_short_12","alias_value":"K2VHSOJQKXTO","created_at":"2026-07-05T10:25:11Z"},{"alias_kind":"pith_short_16","alias_value":"K2VHSOJQKXTO2PDI","created_at":"2026-07-05T10:25:11Z"},{"alias_kind":"pith_short_8","alias_value":"K2VHSOJQ","created_at":"2026-07-05T10:25:11Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2024:K2VHSOJQKXTO2PDI2CZVF6S2A7","target":"record","payload":{"canonical_record":{"source":{"id":"2410.04542","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"q-bio.BM","submitted_at":"2024-10-06T16:34:01Z","cross_cats_sorted":["cs.LG"],"title_canon_sha256":"4d4b626160d1eebf575aa343e7978f847f7e8102afc8cd7ed01faa40867164c4","abstract_canon_sha256":"ce977897bfc3c8bdbcc0a125d928adb1c5fd1a8f2abfc791ddb4c6fec27ec56b"},"schema_version":"1.0"},"canonical_sha256":"56aa79393055e6ed3c68d0b352fa5a07fa989265cdbbcef955723a704b048e91","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T10:25:11.221977Z","signature_b64":"KpfDcivAFiUL3dGaxHX3kXf4/K3VhmtV+lm+z0gYgQzRJfvVb+ro87/2BRCxg22CMgVr5opWg8DPdudx/gVeDQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"56aa79393055e6ed3c68d0b352fa5a07fa989265cdbbcef955723a704b048e91","last_reissued_at":"2026-07-05T10:25:11.221489Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T10:25:11.221489Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2410.04542","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T10:25:11Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"YIg7O7HwX0S/Wl6B9e4rfeMe5j09Nf1O0I2uV+H0VHDjqyuJMcLuh9UKT/RZo5M8MVzNWo1qIbiXMqFgqq1NBA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-20T03:58:24.484269Z"},"content_sha256":"9e99be5dce7975d64d6efb3667f9ce0175a613c34d148f6e66994c08c678b7e6","schema_version":"1.0","event_id":"sha256:9e99be5dce7975d64d6efb3667f9ce0175a613c34d148f6e66994c08c678b7e6"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2024:K2VHSOJQKXTO2PDI2CZVF6S2A7","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Generative Flows on Synthetic Pathway for Drug Design","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cs.LG"],"primary_cat":"q-bio.BM","authors_text":"Jinkyoo Park, Martin Ester, Minsu Kim, Seonghwan Seo, Sungsoo Ahn, Tony Shen, Woo Youn Kim","submitted_at":"2024-10-06T16:34:01Z","abstract_excerpt":"Generative models in drug discovery have recently gained attention as efficient alternatives to brute-force virtual screening. However, most existing models do not account for synthesizability, limiting their practical use in real-world scenarios. In this paper, we propose RxnFlow, which sequentially assembles molecules using predefined molecular building blocks and chemical reaction templates to constrain the synthetic chemical pathway. We then train on this sequential generating process with the objective of generative flow networks (GFlowNets) to generate both highly rewarded and diverse mo"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2410.04542","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2410.04542/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T10:25:11Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"cxeRfc1BbJLpz2PjxVGTzuYbVAizVE67RrZYUw2XYoLiKBEW8bwkvADH8dPN0SEjWu0mi27ykVBIpCXdURF3DA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-20T03:58:24.484645Z"},"content_sha256":"d2a7aa22b551d985ad9603d5e74d863a0b04038f343d230964bb79ae1ea388f5","schema_version":"1.0","event_id":"sha256:d2a7aa22b551d985ad9603d5e74d863a0b04038f343d230964bb79ae1ea388f5"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/K2VHSOJQKXTO2PDI2CZVF6S2A7/bundle.json","state_url":"https://pith.science/pith/K2VHSOJQKXTO2PDI2CZVF6S2A7/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/K2VHSOJQKXTO2PDI2CZVF6S2A7/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-08-20T03:58:24Z","links":{"resolver":"https://pith.science/pith/K2VHSOJQKXTO2PDI2CZVF6S2A7","bundle":"https://pith.science/pith/K2VHSOJQKXTO2PDI2CZVF6S2A7/bundle.json","state":"https://pith.science/pith/K2VHSOJQKXTO2PDI2CZVF6S2A7/state.json","well_known_bundle":"https://pith.science/.well-known/pith/K2VHSOJQKXTO2PDI2CZVF6S2A7/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:K2VHSOJQKXTO2PDI2CZVF6S2A7","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"ce977897bfc3c8bdbcc0a125d928adb1c5fd1a8f2abfc791ddb4c6fec27ec56b","cross_cats_sorted":["cs.LG"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"q-bio.BM","submitted_at":"2024-10-06T16:34:01Z","title_canon_sha256":"4d4b626160d1eebf575aa343e7978f847f7e8102afc8cd7ed01faa40867164c4"},"schema_version":"1.0","source":{"id":"2410.04542","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2410.04542","created_at":"2026-07-05T10:25:11Z"},{"alias_kind":"arxiv_version","alias_value":"2410.04542v2","created_at":"2026-07-05T10:25:11Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2410.04542","created_at":"2026-07-05T10:25:11Z"},{"alias_kind":"pith_short_12","alias_value":"K2VHSOJQKXTO","created_at":"2026-07-05T10:25:11Z"},{"alias_kind":"pith_short_16","alias_value":"K2VHSOJQKXTO2PDI","created_at":"2026-07-05T10:25:11Z"},{"alias_kind":"pith_short_8","alias_value":"K2VHSOJQ","created_at":"2026-07-05T10:25:11Z"}],"graph_snapshots":[{"event_id":"sha256:d2a7aa22b551d985ad9603d5e74d863a0b04038f343d230964bb79ae1ea388f5","target":"graph","created_at":"2026-07-05T10:25:11Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2410.04542/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Generative models in drug discovery have recently gained attention as efficient alternatives to brute-force virtual screening. However, most existing models do not account for synthesizability, limiting their practical use in real-world scenarios. In this paper, we propose RxnFlow, which sequentially assembles molecules using predefined molecular building blocks and chemical reaction templates to constrain the synthetic chemical pathway. We then train on this sequential generating process with the objective of generative flow networks (GFlowNets) to generate both highly rewarded and diverse mo","authors_text":"Jinkyoo Park, Martin Ester, Minsu Kim, Seonghwan Seo, Sungsoo Ahn, Tony Shen, Woo Youn Kim","cross_cats":["cs.LG"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"q-bio.BM","submitted_at":"2024-10-06T16:34:01Z","title":"Generative Flows on Synthetic Pathway for Drug Design"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2410.04542","kind":"arxiv","version":2},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:9e99be5dce7975d64d6efb3667f9ce0175a613c34d148f6e66994c08c678b7e6","target":"record","created_at":"2026-07-05T10:25:11Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"ce977897bfc3c8bdbcc0a125d928adb1c5fd1a8f2abfc791ddb4c6fec27ec56b","cross_cats_sorted":["cs.LG"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"q-bio.BM","submitted_at":"2024-10-06T16:34:01Z","title_canon_sha256":"4d4b626160d1eebf575aa343e7978f847f7e8102afc8cd7ed01faa40867164c4"},"schema_version":"1.0","source":{"id":"2410.04542","kind":"arxiv","version":2}},"canonical_sha256":"56aa79393055e6ed3c68d0b352fa5a07fa989265cdbbcef955723a704b048e91","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"56aa79393055e6ed3c68d0b352fa5a07fa989265cdbbcef955723a704b048e91","first_computed_at":"2026-07-05T10:25:11.221489Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T10:25:11.221489Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"KpfDcivAFiUL3dGaxHX3kXf4/K3VhmtV+lm+z0gYgQzRJfvVb+ro87/2BRCxg22CMgVr5opWg8DPdudx/gVeDQ==","signature_status":"signed_v1","signed_at":"2026-07-05T10:25:11.221977Z","signed_message":"canonical_sha256_bytes"},"source_id":"2410.04542","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:9e99be5dce7975d64d6efb3667f9ce0175a613c34d148f6e66994c08c678b7e6","sha256:d2a7aa22b551d985ad9603d5e74d863a0b04038f343d230964bb79ae1ea388f5"],"state_sha256":"66cb033904bf781973db34ea8b56545972be4ff67efd4468ae22b9b4e13b25ca"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"TMqPMosPOZhfZWLoC58lDtNgZgkh3EQAuidOkMSpUY3bGHuntr7FyfMGHXmTRn6Kw6sP5pUF+InFFKx47vYNDQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-20T03:58:24.487216Z","bundle_sha256":"e062d712bae900eda9a207f89fc00ddb659ea55ac562b4a5c7651eeafead88e0"}}